psnGPCR

Code	CY8
Name	Cyclopamine
Synonyms	(3alpha,8alpha,14beta,22S,23R)-17,23-epoxyveratraman-3-ol
Identifier
Formula	C27 H41 N O2
Molecular Weight	411.62
SMILES
PubChem	442972
Formal Charge	0
Total Atoms	71
Total Chiral Atoms	10
Total Bonds	76
Total Aromatic Bonds	0
Networks	2

This ligand is also present in the following 2 networks:

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

4O9R

Protein

Frizzled

SMO

Homo Sapiens

Cyclopamine

3.2

2014-03-05

10.1038/ncomms4309

A 2D representation of the interactions of CY8 in 4O9R
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
L:L:?1	R:R:N219	12.11	1	Yes	Yes	0	7	0	1
L:L:?1	R:R:L221	4.44	1	Yes	No	0	6	0	1
L:L:?1	R:R:F222	3.91	1	Yes	Yes	0	6	0	1
L:L:?1	R:R:L303	4.44	1	Yes	No	0	3	0	1
L:L:?1	R:R:D384	11.97	1	Yes	Yes	0	8	0	1
L:L:?1	R:R:Y394	6.58	1	Yes	Yes	0	5	0	1
L:L:?1	R:R:K395	13.57	1	Yes	No	0	3	0	1
L:L:?1	R:R:D473	5.44	1	Yes	Yes	0	8	0	1
L:L:?1	R:R:Q477	8.54	1	Yes	No	0	6	0	1
L:L:?1	R:R:F484	14.65	1	Yes	Yes	0	6	0	1
L:L:?1	R:R:P513	3.95	1	Yes	No	0	8	0	1
L:L:?1	R:R:E518	11.69	1	Yes	No	0	7	0	1
R:R:F484	R:R:Y207	5.16	1	Yes	Yes	6	7	1	2
R:R:V488	R:R:Y207	8.83	1	Yes	Yes	6	7	2	2
R:R:I215	R:R:M301	5.83	0	No	No	5	4	2	2
R:R:F484	R:R:I215	3.77	1	Yes	No	6	5	1	2
R:R:N219	R:R:P220	6.52	1	Yes	Yes	7	8	1	2
R:R:L221	R:R:N219	5.49	1	No	Yes	6	7	1	1
R:R:F222	R:R:N219	8.46	1	Yes	Yes	6	7	1	1
R:R:D384	R:R:N219	5.39	1	Yes	Yes	8	7	1	1
R:R:N219	R:R:V386	4.43	1	Yes	Yes	7	5	1	2
R:R:F484	R:R:P220	5.78	1	Yes	Yes	6	8	1	2
R:R:F222	R:R:L221	4.87	1	Yes	No	6	6	1	1
R:R:E226	R:R:F222	8.16	1	Yes	Yes	8	6	2	1
R:R:F222	R:R:V386	3.93	1	Yes	Yes	6	5	1	2
R:R:F222	R:R:R512	5.34	1	Yes	No	6	6	1	2
R:R:F222	R:R:P513	10.11	1	Yes	No	6	8	1	1
R:R:F222	R:R:L515	7.31	1	Yes	No	6	5	1	2
R:R:E226	R:R:R512	13.96	1	Yes	No	8	6	2	2
R:R:E226	R:R:L515	6.63	1	Yes	No	8	5	2	2
R:R:L303	R:R:M301	4.24	0	No	No	3	4	1	2
R:R:D382	R:R:L303	6.79	0	No	No	9	3	2	1
R:R:D382	R:R:Y394	5.75	0	No	Yes	9	5	2	1
R:R:D384	R:R:V386	8.76	1	Yes	Yes	8	5	1	2
R:R:D384	R:R:S387	7.36	1	Yes	No	8	8	1	2
R:R:D384	R:R:Y394	4.6	1	Yes	Yes	8	5	1	1
R:R:F391	R:R:Y394	8.25	0	Yes	Yes	8	5	2	1
R:R:K395	R:R:N396	8.39	0	No	No	3	7	1	2
R:R:Q477	R:R:Y397	16.91	1	No	Yes	6	3	1	2
R:R:E481	R:R:Y397	6.73	1	No	Yes	5	3	2	2
R:R:D473	R:R:R400	10.72	1	Yes	No	8	9	1	2
R:R:D473	R:R:W480	4.47	1	Yes	Yes	8	9	1	2
R:R:D473	R:R:E518	11.69	1	Yes	No	8	7	1	1
R:R:E481	R:R:Q477	5.1	1	No	No	5	6	2	1
R:R:P513	R:R:W480	22.97	1	No	Yes	8	9	1	2
R:R:F484	R:R:V488	7.87	1	Yes	Yes	6	6	1	2

Statistics	Value
Average Number Of Links	12.00
Average Number Of Links With An Hub	6.00
Average Interaction Strength	8.44
Average Nodes In Shell	30.00
Average Hubs In Shell	15.00
Average Links In Shell	46.00
Average Links Mediated by Hubs In Shell	41.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

6D32

Protein

Frizzled

SMO

Xenopus Laevis

Cyclopamine

3.75

2018-05-23

10.1016/j.cell.2018.04.029

A 2D representation of the interactions of CY8 in 6D32
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
L:L:?1	R:R:N192	12.11	2	Yes	Yes	0	7	0	1
L:L:?1	R:R:L194	5.55	2	Yes	Yes	0	6	0	1
L:L:?1	R:R:F195	2.93	2	Yes	Yes	0	6	0	1
L:L:?1	R:R:D357	16.33	2	Yes	Yes	0	8	0	1
L:L:?1	R:R:Y367	15.04	2	Yes	Yes	0	5	0	1
L:L:?1	R:R:K368	4.52	2	Yes	No	0	4	0	1
L:L:?1	R:R:R373	4.87	2	Yes	Yes	0	9	0	1
L:L:?1	R:R:Q450	8.54	2	Yes	No	0	7	0	1
L:L:?1	R:R:E454	3.19	2	Yes	No	0	5	0	1
L:L:?1	R:R:F457	5.86	2	Yes	Yes	0	7	0	1
L:L:?1	R:R:E491	9.56	2	Yes	No	0	6	0	1
R:R:F457	R:R:I188	3.77	0	Yes	No	7	6	1	2
R:R:N192	R:R:P193	6.52	2	Yes	Yes	7	8	1	2
R:R:L194	R:R:N192	5.49	2	Yes	Yes	6	7	1	1
R:R:F195	R:R:N192	8.46	2	Yes	Yes	6	7	1	1
R:R:D357	R:R:N192	5.39	2	Yes	Yes	8	7	1	1
R:R:N192	R:R:V359	4.43	2	Yes	Yes	7	7	1	2
R:R:F457	R:R:P193	5.78	0	Yes	Yes	7	8	1	2
R:R:F195	R:R:L194	4.87	2	Yes	Yes	6	6	1	1
R:R:I482	R:R:L194	2.85	0	No	Yes	4	6	2	1
R:R:L194	R:R:P486	4.93	2	Yes	Yes	6	9	1	2
R:R:E199	R:R:F195	5.83	2	Yes	Yes	8	6	2	1
R:R:F195	R:R:V359	3.93	2	Yes	Yes	6	7	1	2
R:R:F195	R:R:R485	5.34	2	Yes	Yes	6	7	1	2
R:R:F195	R:R:P486	8.67	2	Yes	Yes	6	9	1	2
R:R:F195	R:R:L488	8.53	2	Yes	No	6	6	1	2
R:R:E199	R:R:R485	9.3	2	Yes	Yes	8	7	2	2
R:R:E199	R:R:L488	7.95	2	Yes	No	8	6	2	2
R:R:D355	R:R:Y367	5.75	0	Yes	Yes	9	5	2	1
R:R:D355	R:R:K368	4.15	0	Yes	No	9	4	2	1
R:R:D357	R:R:V359	8.76	2	Yes	Yes	8	7	1	2
R:R:D357	R:R:S360	10.31	2	Yes	No	8	8	1	2
R:R:D357	R:R:Y367	4.6	2	Yes	Yes	8	5	1	1
R:R:F364	R:R:Y367	9.28	0	No	Yes	9	5	2	1
R:R:R373	R:R:Y367	3.09	2	Yes	Yes	9	5	1	1
R:R:K368	R:R:N369	13.99	0	No	No	4	8	1	2
R:R:Q450	R:R:Y370	20.29	2	No	Yes	7	4	1	2
R:R:H443	R:R:R373	11.28	0	No	Yes	9	9	2	1
R:R:D446	R:R:R373	3.57	2	Yes	Yes	7	9	2	1
R:R:D446	R:R:E491	7.8	2	Yes	No	7	6	2	1
R:R:E454	R:R:Q450	3.82	2	No	No	5	7	1	1
R:R:F457	R:R:V461	7.87	0	Yes	No	7	6	1	2
R:R:P486	R:R:R485	2.88	2	Yes	Yes	9	7	2	2
R:R:L488	R:R:R485	4.86	2	No	Yes	6	7	2	2
R:R:E491	R:R:V490	2.85	0	No	Yes	6	7	1	2

Statistics	Value
Average Number Of Links	11.00
Average Number Of Links With An Hub	7.00
Average Interaction Strength	8.05
Average Nodes In Shell	29.00
Average Hubs In Shell	17.00
Average Links In Shell	45.00
Average Links Mediated by Hubs In Shell	43.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

A 2D representation of the interactions of CY8 in 6D32
colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:D68	R:R:S69	5.89	1	Yes	Yes	6	7	1	2
R:R:D68	R:R:K78	9.68	1	Yes	No	6	5	1	2
R:R:D68	R:R:Y103	11.49	1	Yes	Yes	6	7	1	2
R:R:D68	R:R:F139	9.55	1	Yes	Yes	6	8	1	2
R:R:D68	W:W:?3	4.35	1	Yes	Yes	6	0	1	0
R:R:K78	R:R:S69	6.12	1	No	Yes	5	7	2	2
R:R:K78	R:R:Y103	7.17	1	No	Yes	5	7	2	2
R:R:L81	W:W:?3	6.66	0	No	Yes	4	0	1	0
R:R:I95	R:R:W82	3.52	1	Yes	Yes	8	7	2	1
R:R:L99	R:R:W82	12.53	1	No	Yes	9	7	2	1
R:R:W82	R:R:Y103	7.72	1	Yes	Yes	7	7	1	2
R:R:V130	R:R:W82	3.68	1	No	Yes	7	7	1	1
R:R:W136	R:R:W82	3.75	1	Yes	Yes	9	7	2	1
R:R:P137	R:R:W82	4.05	1	Yes	Yes	9	7	1	1
R:R:L140	R:R:W82	3.42	1	Yes	Yes	7	7	2	1
R:R:W82	W:W:?3	8.22	1	Yes	Yes	7	0	1	0
R:R:I95	R:R:L99	7.14	1	Yes	No	8	9	2	2
R:R:F139	R:R:Y103	5.16	1	Yes	Yes	8	7	2	2
R:R:E133	R:R:I129	10.93	0	No	No	4	6	1	2
R:R:V130	R:R:W136	15.94	1	No	Yes	7	9	1	2
R:R:V130	W:W:?3	3.58	1	No	Yes	7	0	1	0
R:R:E133	W:W:?3	18.07	0	No	Yes	4	0	1	0
R:R:R134	W:W:?3	8.77	0	No	Yes	5	0	1	0
R:R:P137	R:R:W136	5.4	1	Yes	Yes	9	9	1	2
R:R:L140	R:R:W136	4.56	1	Yes	Yes	7	9	2	2
R:R:F139	R:R:P137	5.78	1	Yes	Yes	8	9	2	1
R:R:L140	R:R:P137	13.14	1	Yes	Yes	7	9	2	1
R:R:P137	W:W:?3	6.58	1	Yes	Yes	9	0	1	0
R:R:F139	R:R:L140	7.31	1	Yes	Yes	8	7	2	2

Statistics	Value
Average Number Of Links	7.00
Average Number Of Links With An Hub	3.00
Average Interaction Strength	8.03
Average Nodes In Shell	17.00
Average Hubs In Shell	10.00
Average Links In Shell	29.00
Average Links Mediated by Hubs In Shell	28.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Statistics	Value
Average Number Of Links	10.00
Average Number Of Links With An Hub	5.33
Average Interaction Strength	8.17
Average Nodes In Shell	25.33
Average Hubs In Shell	14.00
Average Links In Shell	40.00
Average Links Mediated by Hubs In Shell	37.33

Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

Location of the nodes interacting with this ligand

(Click to enlarge 🔍)